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Compound Detail

CHEMBL1194941

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N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194941
Phase Preclinical
Structure Type MOL
InChI Key MPNBVZQDJPWSKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
0.18
ALogP
5
HBA
3
HBD
112.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O4
MW 331.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.06

Data from ChEMBL 36 via Core Engine